methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate

C19H25NO6 — CID 54476151

IUPACmethyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate
SMILESCCC1C(=O)N(OCc2ccccc2)[C@@H]1CC1(CC(=O)OC)OCCO1
InChIInChI=1S/C19H25NO6/c1-3-15-16(11-19(12-17(21)23-2)24-9-10-25-19)20(18(15)22)26-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3/t15?,16-/m1/s1
InChIKeyXLSHPSAPVFWTAB-OEMAIJDKSA-N
MW363.41 g/mol
LogP2.05
Rot. Bonds8

About methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate

methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate (PubChem CID 54476151) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate
PubChem CID54476151
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Namemethyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate
SMILESCCC1C(=O)N(OCc2ccccc2)[C@@H]1CC1(CC(=O)OC)OCCO1
InChIInChI=1S/C19H25NO6/c1-3-15-16(11-19(12-17(21)23-2)24-9-10-25-19)20(18(15)22)26-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3/t15?,16-/m1/s1
InChIKeyXLSHPSAPVFWTAB-OEMAIJDKSA-N
XLogP2.05
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate with MolForge

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Related Compounds

Methyl 2-[2-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]-1,3-dioxolan-2-yl]acetate
CID 13493544
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
CID 14543351
Methyl 3-oxo-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
CID 14543352
Methyl 3-hydroxy-4-(4-oxo-1-phenylmethoxyazetidin-2-yl)butanoate
CID 14811602
Methyl 3-[2-(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)-4-methyl-1,3-dioxetan-2-yl]propanoate
CID 20034909
methyl 2-[2-[[(2R,3S)-3-acetyl-1-benzyl-4-oxoazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate
CID 67933052
Methyl 2-[3-[(3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl)methyl]dioxolan-3-yl]acetate
CID 88601335
(3R,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one
CID 10589661
(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one
CID 100992254
Methyl (3S)-4-[(2R)-1-(benzyloxy)-4-oxoazetidin-2-yl]-3-hydroxybutanoate
CID 165341846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate?
The IUPAC name of methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate (CID 54476151) is methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate is CCC1C(=O)N(OCc2ccccc2)[C@@H]1CC1(CC(=O)OC)OCCO1.
What is the InChIKey of methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate?
The InChIKey is XLSHPSAPVFWTAB-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H25NO6/c1-3-15-16(11-19(12-17(21)23-2)24-9-10-25-19)20(18(15)22)26-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3/t15?,16-/m1/s1.
What are the key properties of methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate?
methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate has a molecular weight of 363.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(2R)-3-ethyl-4-oxo-1-phenylmethoxyazetidin-2-yl]methyl]-1,3-dioxolan-2-yl]acetate is sourced from PubChem (CID 54476151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).